Method and system for increasing judgment accuracy of monoisotopic peaks

An isotope and accuracy technology, applied in the field of mass spectrometry data preprocessing, which can solve the problem of inaccurate theoretical isotope peak clusters.

Active Publication Date: 2012-05-09
INST OF COMPUTING TECH CHINESE ACAD OF SCI
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  • Abstract
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Problems solved by technology

However, Cox and Mann did not solve the problem of inaccurate theoretical isotope peak clusters in the first type of method

Method used

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  • Method and system for increasing judgment accuracy of monoisotopic peaks
  • Method and system for increasing judgment accuracy of monoisotopic peaks
  • Method and system for increasing judgment accuracy of monoisotopic peaks

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Embodiment Construction

[0109] In order to make the purpose, technical solution and advantages of the present invention clearer, a method and system for improving the accuracy of monoisotope peak judgment of the present invention will be further described in detail in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described here are only used to explain the present invention, not to limit the present invention.

[0110] A method and system for improving the accuracy of monoisotope peak judgment in the present invention first utilizes the intrinsic relationship between the intensity ratio of adjacent peaks in the isotope peak cluster and the peptide mass to solve the inaccurate intensity distribution of theoretical isotope peak clusters in the average amino acid model Second, use the stable intensity distribution of high-intensity peaks in the chromatographic elution curve to make up for the current shortcomings of unstable intensity di...

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Abstract

The invention discloses a method and system for increasing judgment accuracy of monoisotopic peaks. The method comprises the following steps: according to selected tandem mass spectrums, determining candidate isotopic peak clusters; according to the similarity and the strength ratio of the chromatographic outflow curves of the candidate isotopic peak clusters, determining the start and stop of the isotopic peak clusters; according to the start and stop of the isotopic peak clusters, determining the quality of the monoisotopic peaks; and judging whether the monoisotopic peaks of the tandem mass spectrums are not determined or not, if yes, returning and selecting a new tandem mass spectrum to determine a candidate isotopic peak cluster, and if not, ending.

Description

technical field [0001] The invention relates to the technical field of mass spectrometry data preprocessing, in particular to a method and system for improving the accuracy of monoisotopic peak determination. Background technique [0002] Mass spectrometry has a wide range of applications in proteomics. Proteins can be identified and quantified on a large scale using mass spectrometry. A typical proteomics identification experiment is: an unknown protein sample is cut into a mixture of peptide segments by enzymes, separated by liquid chromatography, and then entered into a mass spectrometer for mass scanning to generate a primary mass spectrum, and then dynamically select some peptide ions as parent ions, Scan the mass-to-charge ratio and intensity of the fragment ions after the fragmentation of the parent ion to generate tandem mass spectrometry data, submit it to a database search engine (such as pFind, Mascot, SEQUEST, etc.) to identify the peptide corresponding to the t...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N33/68G01N27/62
Inventor 袁作飞刘超王海鹏付岩孙瑞祥贺思敏
Owner INST OF COMPUTING TECH CHINESE ACAD OF SCI
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